1,3-thiazol-2-ylsulfanylformic acid

C4H3NO2S2 — CID 88841214

IUPAC1,3-thiazol-2-ylsulfanylformic acid
SMILESO=C(O)Sc1nccs1
InChIInChI=1S/C4H3NO2S2/c6-4(7)9-3-5-1-2-8-3/h1-2H,(H,6,7)
InChIKeyFMZOFALNKRKXST-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.91
Rot. Bonds1

About 1,3-thiazol-2-ylsulfanylformic acid

1,3-thiazol-2-ylsulfanylformic acid (PubChem CID 88841214) has the molecular formula C4H3NO2S2 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1,3-thiazol-2-ylsulfanylformic acid.

Molecular Properties

Compound Name1,3-thiazol-2-ylsulfanylformic acid
PubChem CID88841214
Molecular FormulaC4H3NO2S2
Molecular Weight161.21 g/mol
Exact Mass160.96
IUPAC Name1,3-thiazol-2-ylsulfanylformic acid
SMILESO=C(O)Sc1nccs1
InChIInChI=1S/C4H3NO2S2/c6-4(7)9-3-5-1-2-8-3/h1-2H,(H,6,7)
InChIKeyFMZOFALNKRKXST-UHFFFAOYSA-N
XLogP1.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1,3-thiazol-2-yl carbamodithioate
CID 154362539
(E)-3-(1,3-thiazol-2-ylsulfanyl)prop-2-enoic acid
CID 18002505
benzene;2-(disulfanyl)-1,3-thiazole
CID 87960385
2-ethyl-2-(1,3-thiazol-2-ylsulfanyl)butanoic acid
CID 114993374
2-(1,3-thiazol-2-yltetrasulfanyl)-1,3-thiazole
CID 141178698
1,3-thiazol-2-yl N,N-diethylcarbamodithioate
CID 150695189
2-[2-[(S)-phenylsulfinyl]ethylsulfanyl]-1,3-thiazole
CID 97016350
2-phenylsulfanyl-1,3-thiazole
CID 606073
CID 69459233
CID 69459233
3-bromo-5-(1,3-thiazol-2-ylsulfanyl)benzoic acid
CID 102823822
5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397335
3-(1,3-thiazol-2-ylsulfanyl)propanehydrazide
CID 63581997

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-ylsulfanylformic acid?
The IUPAC name of 1,3-thiazol-2-ylsulfanylformic acid (CID 88841214) is 1,3-thiazol-2-ylsulfanylformic acid.
What is the SMILES notation for 1,3-thiazol-2-ylsulfanylformic acid?
The canonical SMILES for 1,3-thiazol-2-ylsulfanylformic acid is O=C(O)Sc1nccs1.
What is the InChIKey of 1,3-thiazol-2-ylsulfanylformic acid?
The InChIKey is FMZOFALNKRKXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2S2/c6-4(7)9-3-5-1-2-8-3/h1-2H,(H,6,7).
What are the key properties of 1,3-thiazol-2-ylsulfanylformic acid?
1,3-thiazol-2-ylsulfanylformic acid has a molecular weight of 161.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-ylsulfanylformic acid is sourced from PubChem (CID 88841214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).